2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C9H12N6OS — CID 62054490

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(CN)nn2)n1
InChIInChI=1S/C9H12N6OS/c1-6-5-17-9(11-6)12-8(16)4-15-3-7(2-10)13-14-15/h3,5H,2,4,10H2,1H3,(H,11,12,16)
InChIKeyDWLIOXVEHVEJNU-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.14
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 62054490) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID62054490
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(CN)nn2)n1
InChIInChI=1S/C9H12N6OS/c1-6-5-17-9(11-6)12-8(16)4-15-3-7(2-10)13-14-15/h3,5H,2,4,10H2,1H3,(H,11,12,16)
InChIKeyDWLIOXVEHVEJNU-UHFFFAOYSA-N
XLogP0.14
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 62054490) is 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2cc(CN)nn2)n1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DWLIOXVEHVEJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-6-5-17-9(11-6)12-8(16)4-15-3-7(2-10)13-14-15/h3,5H,2,4,10H2,1H3,(H,11,12,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 252.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 62054490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).